| Conformational dynamics and enzyme evolution D Petrović, VA Risso, SCL Kamerlin, JM Sanchez-Ruiz Journal of the Royal Society Interface 15 (144), 20180330, 2018 | 166 | 2018 |
| Loop motion in triosephosphate isomerase is not a simple open and shut case Q Liao, Y Kulkarni, U Sengupta, D Petrović, AJ Mulholland, ... Journal of the American Chemical Society 140 (46), 15889-15903, 2018 | 80 | 2018 |
| The evolution of multiple active site configurations in a designed enzyme NS Hong, D Petrović, R Lee, G Gryn’ova, M Purg, J Saunders, P Bauer, ... Nature communications 9 (1), 3900, 2018 | 77 | 2018 |
| Shuffling active site substate populations affects catalytic activity: the case of glucose oxidase D Petrović, D Frank, SCL Kamerlin, K Hoffmann, B Strodel ACS catalysis 7 (9), 6188-6197, 2017 | 54 | 2017 |
| DNP-enhanced MAS NMR: a tool to snapshot conformational ensembles of α-synuclein in different states B Uluca, T Viennet, D Petrović, H Shaykhalishahi, F Weirich, A Gönülalan, ... Biophysical journal 114 (7), 1614-1623, 2018 | 47 | 2018 |
| Enzyme architecture: Modeling the operation of a hydrophobic clamp in catalysis by triosephosphate isomerase YS Kulkarni, Q Liao, D Petrović, DM Krüger, B Strodel, TL Amyes, ... Journal of the American Chemical Society 139 (30), 10514-10525, 2017 | 46 | 2017 |
| Interaction of carbohydrate-binding modules with poly (ethylene terephthalate) J Weber, D Petrović, B Strodel, SHJ Smits, S Kolkenbrock, C Leggewie, ... Applied microbiology and biotechnology 103, 4801-4812, 2019 | 42 | 2019 |
| Molecular modeling of conformational dynamics and its role in enzyme evolution P Dušan, KSC Lynn Current opinion in structural biology 52, 50-57, 2018 | 34 | 2018 |
| Short and simple sequences favored the emergence of N-helix phospho-ligand binding sites in the first enzymes LM Longo, D Petrović, SCL Kamerlin, DS Tawfik Proceedings of the National Academy of Sciences 117 (10), 5310-5318, 2020 | 31 | 2020 |
| Challenges and advances in the computational modeling of biological phosphate hydrolysis D Petrović, K Szeler, SCL Kamerlin Chemical Communications 54 (25), 3077-3089, 2018 | 27 | 2018 |
| Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase G Gamiz-Arco, LI Gutierrez-Rus, VA Risso, B Ibarra-Molero, Y Hoshino, ... Nature communications 12 (1), 380, 2021 | 23 | 2021 |
| Simulation-guided design of cytochrome P450 for chemo-and regioselective macrocyclic oxidation D Petrovic, A Bokel, M Allan, VB Urlacher, B Strodel Journal of chemical information and modeling 58 (4), 848-858, 2018 | 20 | 2018 |
| Stereo-and regioselectivity in catalyzed transformation of a 1, 2-disubstituted vicinal diol and the corresponding diketone by wild type and laboratory evolved alcohol … D Maurer, TR Enugala, E Hamnevik, P Bauer, M Lüking, D Petrovic, ... ACS Catalysis 8 (8), 7526-7538, 2018 | 19 | 2018 |
| One‐Pot, Two‐Step Hydroxylation of the Macrocyclic Diterpenoid β‐Cembrenediol Catalyzed by P450 BM3 Mutants P Le‐Huu, D Petrović, B Strodel, VB Urlacher ChemCatChem 8 (24), 3755-3761, 2016 | 19 | 2016 |
| Conformational sampling of the intrinsically disordered C-terminal tail of DERA is important for enzyme catalysis M Schulte, D Petrović, P Neudecker, R Hartmann, J Pietruszka, S Willbold, ... ACS catalysis 8 (5), 3971-3984, 2018 | 17 | 2018 |
| Determining the capacity of unloading bulk cargo terminal using queuing theory U Bugaric, D Petrovic, Z Petrovic, M Pajcin, G Markovic-Petrovic, ... J Mech Eng Strojniški Vestnik 57, 405-416, 2011 | 15 | 2011 |
| How accurately do force fields represent protein side chain ensembles? D Petrović, X Wang, B Strodel Proteins: Structure, Function, and Bioinformatics 86 (9), 935-944, 2018 | 14 | 2018 |
| Virtual screening expands the non-natural amino acid palette for peptide optimization KN Amarasinghe, L De Maria, C Tyrchan, LA Eriksson, J Sadowski, ... Journal of Chemical Information and Modeling 62 (12), 2999-3007, 2022 | 8 | 2022 |
| Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase A Maršavelski, D Petrović, P Bauer, R Vianello, SCL Kamerlin ACS omega 3 (4), 3665-3674, 2018 | 8 | 2018 |
| Virtual screening in the cloud identifies potent and selective ROS1 kinase inhibitors D Petrovic, JS Scott, MS Bodnarchuk, O Lorthioir, S Boyd, GM Hughes, ... Journal of Chemical Information and Modeling 62 (16), 3832-3843, 2022 | 7 | 2022 |
Kamerlin SC*Georgia Institute of TechnologyVerified email at gatech.edu
